Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50005380   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036257 (((S)-1-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-butyl...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccn1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H41N5O7S/c1-23(2)16-18-37(45(42,43)26-14-7-4-8-15-26)21-29(38)27(19-24-11-5-3-6-12-24)35-31(40)28(20-30(33)39)36-32(41)44-22-25-13-9-10-17-34-25/h3-15,17,23,27-29,38H,16,18-22H2,1-2H3,(H2,33,39)(H,35,40)(H,36,41)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036261 ((S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-but...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C35H41N5O6S/c1-24(2)19-20-40(47(45,46)27-14-7-4-8-15-27)23-32(41)30(21-25-11-5-3-6-12-25)38-35(44)31(22-33(36)42)39-34(43)29-18-17-26-13-9-10-16-28(26)37-29/h3-18,24,30-32,41H,19-23H2,1-2H3,(H2,36,42)(H,38,44)(H,39,43)/t30-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined in vitro				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036251 (CHEMBL141265 | [(1S,2R)-3-(Benzenesulfonyl-isobuty...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H34N2O5S/c1-22(2)19-30(36(33,34)25-16-10-5-11-17-25)20-27(31)26(18-23-12-6-3-7-13-23)29-28(32)35-21-24-14-8-4-9-15-24/h3-17,22,26-27,31H,18-21H2,1-2H3,(H,29,32)/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined in vitro				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036252 (CHEMBL347671 | {(1S,2R)-1-Benzyl-3-[(4-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)17-18-32(38(35,36)26-15-13-25(30)14-16-26)20-28(33)27(19-23-9-5-3-6-10-23)31-29(34)37-21-24-11-7-4-8-12-24/h3-16,22,27-28,33H,17-21H2,1-2H3,(H,31,34)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036262 (CHEMBL348282 | [(1S,2R)-3-(Benzenesulfonyl-cyclohe...) Show SMILES O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H38N2O5S/c34-30(23-33(22-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)32-31(35)38-24-27-17-9-3-10-18-27/h1,3-6,9-14,17-20,26,29-30,34H,2,7-8,15-16,21-24H2,(H,32,35)/t29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036253 (CHEMBL347431 | {(1S,2R)-3-[Benzenesulfonyl-(3-meth...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H36N2O5S/c1-23(2)18-19-31(37(34,35)26-16-10-5-11-17-26)21-28(32)27(20-24-12-6-3-7-13-24)30-29(33)36-22-25-14-8-4-9-15-25/h3-17,23,27-28,32H,18-22H2,1-2H3,(H,30,33)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined in vitro.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036259 ((S)-N*1*-{(1S,2R)-1-Benzyl-2-hydroxy-3-[methanesul...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(C)(=O)=O Show InChI InChI=1S/C30H39N5O6S/c1-20(2)15-16-35(42(3,40)41)19-27(36)25(17-21-9-5-4-6-10-21)33-30(39)26(18-28(31)37)34-29(38)24-14-13-22-11-7-8-12-23(22)32-24/h4-14,20,25-27,36H,15-19H2,1-3H3,(H2,31,37)(H,33,39)(H,34,38)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined in vitro				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036258 (((S)-1-{(1S,2R)-1-Benzyl-2-hydroxy-3-[methanesulfo...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C28H40N4O7S/c1-20(2)14-15-32(40(3,37)38)18-25(33)23(16-21-10-6-4-7-11-21)30-27(35)24(17-26(29)34)31-28(36)39-19-22-12-8-5-9-13-22/h4-13,20,23-25,33H,14-19H2,1-3H3,(H2,29,34)(H,30,35)(H,31,36)/t23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036260 (CHEMBL156424 | {(1S,2R)-1-Benzyl-3-[(3-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)16-17-32(38(35,36)26-15-9-14-25(30)19-26)20-28(33)27(18-23-10-5-3-6-11-23)31-29(34)37-21-24-12-7-4-8-13-24/h3-15,19,22,27-28,33H,16-18,20-21H2,1-2H3,(H,31,34)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036255 (CHEMBL154197 | [(1S,2R)-3-(Benzenesulfonyl-benzyl-...) Show SMILES O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H32N2O5S/c34-30(23-33(22-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)32-31(35)38-24-27-17-9-3-10-18-27/h1-20,29-30,34H,21-24H2,(H,32,35)/t29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036254 (CHEMBL155051 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-m...) Show SMILES CCCS(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H38N2O5S/c1-4-17-34(31,32)28(16-15-21(2)3)19-25(29)24(18-22-11-7-5-8-12-22)27-26(30)33-20-23-13-9-6-10-14-23/h5-14,21,24-25,29H,4,15-20H2,1-3H3,(H,27,30)/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036264 (CHEMBL154600 | {(1S,2R)-1-Benzyl-3-[(2-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)17-18-32(38(35,36)28-16-10-9-15-25(28)30)20-27(33)26(19-23-11-5-3-6-12-23)31-29(34)37-21-24-13-7-4-8-14-24/h3-16,22,26-27,33H,17-21H2,1-2H3,(H,31,34)/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036263 (CHEMBL154638 | {(1S,2S)-3-[Benzenesulfonyl-(3-meth...) Show SMILES CC(C)CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H36N2O5S/c1-23(2)18-19-31(37(34,35)26-16-10-5-11-17-26)21-28(32)27(20-24-12-6-3-7-13-24)30-29(33)36-22-25-14-8-4-9-15-25/h3-17,23,27-28,32H,18-22H2,1-2H3,(H,30,33)/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036256 (CHEMBL154798 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[meth...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C24H34N2O5S/c1-19(2)14-15-26(32(3,29)30)17-23(27)22(16-20-10-6-4-7-11-20)25-24(28)31-18-21-12-8-5-9-13-21/h4-13,19,22-23,27H,14-18H2,1-3H3,(H,25,28)/t22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Binding affinity of the compound for HIV-1 protease was determined				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036261 ((S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-but...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C35H41N5O6S/c1-24(2)19-20-40(47(45,46)27-14-7-4-8-15-27)23-32(41)30(21-25-11-5-3-6-12-25)38-35(44)31(22-33(36)42)39-34(43)29-18-17-26-13-9-10-16-28(26)37-29/h3-18,24,30-32,41H,19-23H2,1-2H3,(H2,36,42)(H,38,44)(H,39,43)/t30-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036257 (((S)-1-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-butyl...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccn1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H41N5O7S/c1-23(2)16-18-37(45(42,43)26-14-7-4-8-15-26)21-29(38)27(19-24-11-5-3-6-12-24)35-31(40)28(20-30(33)39)36-32(41)44-22-25-13-9-10-17-34-25/h3-15,17,23,27-29,38H,16,18-22H2,1-2H3,(H2,33,39)(H,35,40)(H,36,41)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036251 (CHEMBL141265 | [(1S,2R)-3-(Benzenesulfonyl-isobuty...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H34N2O5S/c1-22(2)19-30(36(33,34)25-16-10-5-11-17-25)20-27(31)26(18-23-12-6-3-7-13-23)29-28(32)35-21-24-14-8-4-9-15-24/h3-17,22,26-27,31H,18-21H2,1-2H3,(H,29,32)/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036252 (CHEMBL347671 | {(1S,2R)-1-Benzyl-3-[(4-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)17-18-32(38(35,36)26-15-13-25(30)14-16-26)20-28(33)27(19-23-9-5-3-6-10-23)31-29(34)37-21-24-11-7-4-8-12-24/h3-16,22,27-28,33H,17-21H2,1-2H3,(H,31,34)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036262 (CHEMBL348282 | [(1S,2R)-3-(Benzenesulfonyl-cyclohe...) Show SMILES O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H38N2O5S/c34-30(23-33(22-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)32-31(35)38-24-27-17-9-3-10-18-27/h1,3-6,9-14,17-20,26,29-30,34H,2,7-8,15-16,21-24H2,(H,32,35)/t29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036253 (CHEMBL347431 | {(1S,2R)-3-[Benzenesulfonyl-(3-meth...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H36N2O5S/c1-23(2)18-19-31(37(34,35)26-16-10-5-11-17-26)21-28(32)27(20-24-12-6-3-7-13-24)30-29(33)36-22-25-14-8-4-9-15-25/h3-17,23,27-28,32H,18-22H2,1-2H3,(H,30,33)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036259 ((S)-N*1*-{(1S,2R)-1-Benzyl-2-hydroxy-3-[methanesul...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(C)(=O)=O Show InChI InChI=1S/C30H39N5O6S/c1-20(2)15-16-35(42(3,40)41)19-27(36)25(17-21-9-5-4-6-10-21)33-30(39)26(18-28(31)37)34-29(38)24-14-13-22-11-7-8-12-23(22)32-24/h4-14,20,25-27,36H,15-19H2,1-3H3,(H2,31,37)(H,33,39)(H,34,38)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036260 (CHEMBL156424 | {(1S,2R)-1-Benzyl-3-[(3-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)16-17-32(38(35,36)26-15-9-14-25(30)19-26)20-28(33)27(18-23-10-5-3-6-11-23)31-29(34)37-21-24-12-7-4-8-13-24/h3-15,19,22,27-28,33H,16-18,20-21H2,1-2H3,(H,31,34)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036258 (((S)-1-{(1S,2R)-1-Benzyl-2-hydroxy-3-[methanesulfo...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C28H40N4O7S/c1-20(2)14-15-32(40(3,37)38)18-25(33)23(16-21-10-6-4-7-11-21)30-27(35)24(17-26(29)34)31-28(36)39-19-22-12-8-5-9-13-22/h4-13,20,23-25,33H,14-19H2,1-3H3,(H2,29,34)(H,30,35)(H,31,36)/t23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036255 (CHEMBL154197 | [(1S,2R)-3-(Benzenesulfonyl-benzyl-...) Show SMILES O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H32N2O5S/c34-30(23-33(22-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)32-31(35)38-24-27-17-9-3-10-18-27/h1-20,29-30,34H,21-24H2,(H,32,35)/t29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036254 (CHEMBL155051 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-m...) Show SMILES CCCS(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H38N2O5S/c1-4-17-34(31,32)28(16-15-21(2)3)19-25(29)24(18-22-11-7-5-8-12-22)27-26(30)33-20-23-13-9-6-10-14-23/h5-14,21,24-25,29H,4,15-20H2,1-3H3,(H,27,30)/t24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036264 (CHEMBL154600 | {(1S,2R)-1-Benzyl-3-[(2-chloro-benz...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)17-18-32(38(35,36)28-16-10-9-15-25(28)30)20-27(33)26(19-23-11-5-3-6-12-23)31-29(34)37-21-24-13-7-4-8-14-24/h3-16,22,26-27,33H,17-21H2,1-2H3,(H,31,34)/t26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036263 (CHEMBL154638 | {(1S,2S)-3-[Benzenesulfonyl-(3-meth...) Show SMILES CC(C)CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H36N2O5S/c1-23(2)18-19-31(37(34,35)26-16-10-5-11-17-26)21-28(32)27(20-24-12-6-3-7-13-24)30-29(33)36-22-25-14-8-4-9-15-25/h3-17,23,27-28,32H,18-22H2,1-2H3,(H,30,33)/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036256 (CHEMBL154798 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[meth...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C24H34N2O5S/c1-19(2)14-15-26(32(3,29)30)17-23(27)22(16-20-10-6-4-7-11-20)25-24(28)31-18-21-12-8-5-9-13-21/h4-13,19,22-23,27H,14-18H2,1-3H3,(H,25,28)/t22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50036265 (CHEMBL155260 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-m...) Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O5S/c1-24(2)18-19-32(38(35,36)23-27-16-10-5-11-17-27)21-29(33)28(20-25-12-6-3-7-13-25)31-30(34)37-22-26-14-8-4-9-15-26/h3-17,24,28-29,33H,18-23H2,1-2H3,(H,31,34)/t28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.				J Med Chem 38: 581-4 (1995) BindingDB Entry DOI: 10.7270/Q2SF2V61
					More data for this Ligand-Target Pair